3-aminonaphthalene-1,7-diol

C10H9NO2 — CID 105435991

IUPAC3-aminonaphthalene-1,7-diol
SMILESNc1cc(O)c2cc(O)ccc2c1
InChIInChI=1S/C10H9NO2/c11-7-3-6-1-2-8(12)5-9(6)10(13)4-7/h1-5,12-13H,11H2
InChIKeyLFAOBFUETYNKQE-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.83
Rot. Bonds

About 3-aminonaphthalene-1,7-diol

3-aminonaphthalene-1,7-diol (PubChem CID 105435991) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-aminonaphthalene-1,7-diol.

Molecular Properties

Compound Name3-aminonaphthalene-1,7-diol
PubChem CID105435991
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-aminonaphthalene-1,7-diol
SMILESNc1cc(O)c2cc(O)ccc2c1
InChIInChI=1S/C10H9NO2/c11-7-3-6-1-2-8(12)5-9(6)10(13)4-7/h1-5,12-13H,11H2
InChIKeyLFAOBFUETYNKQE-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,6-dihydroxynaphthalene-2-sulfonate
CID 19096570
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
3,4-difluoronaphthalene-2,6-diol
CID 18457308
6-amino-5-methoxynaphthalen-2-ol
CID 115017706
2-methylnaphthalene-1,3,7-triol
CID 159488157
1,7-dihydroxy-3-(sulfinatoamino)naphthalene
CID 57134913
6-amino-4-hydroxynaphthalene-2-sulfonamide
CID 22766301
7-amino-5-methoxynaphthalen-2-ol
CID 105443487
8-aminonaphthalen-2-ol;ethane
CID 91086643
1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
CID 146469077
7-amino-8-methoxynaphthalen-2-ol
CID 115017708
triphenylene-2,6,10-triol
CID 19043276

Frequently Asked Questions

What is the IUPAC name of 3-aminonaphthalene-1,7-diol?
The IUPAC name of 3-aminonaphthalene-1,7-diol (CID 105435991) is 3-aminonaphthalene-1,7-diol.
What is the SMILES notation for 3-aminonaphthalene-1,7-diol?
The canonical SMILES for 3-aminonaphthalene-1,7-diol is Nc1cc(O)c2cc(O)ccc2c1.
What is the InChIKey of 3-aminonaphthalene-1,7-diol?
The InChIKey is LFAOBFUETYNKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-7-3-6-1-2-8(12)5-9(6)10(13)4-7/h1-5,12-13H,11H2.
What are the key properties of 3-aminonaphthalene-1,7-diol?
3-aminonaphthalene-1,7-diol has a molecular weight of 175.19 g/mol, XLogP of 1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminonaphthalene-1,7-diol is sourced from PubChem (CID 105435991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).